Computational Studies of Free Radical-Scavenging Properties of Phenolic Compounds.
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TLDR
This review aims at presenting the state of the art in quantum chemical and QSAR studies of phenolic antioxidants and at analysing the trends observed in the field in the last decade.Abstract:
For more than half a century free radical-induced alterations at cellular and organ levels have been investigated as a probable underlying mechanism of a number of adverse health conditions. Consequently, significant research efforts have been spent for discovering more effective and potent antioxidants / free radical scavengers for treatment of these adverse conditions. Being by far the most used antioxidants among natural and synthetic compounds, mono- and polyphenols have been the focus of both experimental and computational research on mechanisms of free radical scavenging. Quantum chemical studies have provided a significant amount of data on mechanisms of reactions between phenolic compounds and free radicals outlining a number of properties with a key role for the radical scavenging activity and capacity of phenolics. The obtained quantum chemical parameters together with other molecular descriptors have been used in quantitative structure-activity relationship (QSAR) analyses for the design of new more effective phenolic antioxidants and for identification of the most useful natural antioxidant phenolics. This review aims at presenting the state of the art in quantum chemical and QSAR studies of phenolic antioxidants and at analysing the trends observed in the field in the last decade.read more
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The Potential of Plant Phenolics in Prevention and Therapy of Skin Disorders
Magdalena Działo,Justyna Mierziak,Urszula Korzun,Marta Preisner,Jan Szopa,Jan Szopa,Anna Kulma +6 more
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TL;DR: The aim of this paper is to present the data about antioxidant activity of polyphenolic compounds with the emphasis on the main factors having influence on their antioxidant activity: chemical structure, ability to form hydrogen bonds, capability of metal ions chelation and reduction, adduct formation and mechanism of antioxidant reaction.
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Laccase catalysis for the synthesis of bioactive compounds
TL;DR: The major advances in laccase-mediated synthesis of bioactive compounds, the mechanisms of enzymatic coupling, structure-activity relationships of synthesized compounds, and the challenges that might guide future research directions are reviewed.
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Polyphenolic composition of grape stem extracts affects antioxidant activity in endothelial and muscle cells
Nikolaos Goutzourelas,Dimitrios Stagos,Ypatios Spanidis,Maria Liosi,Anna Apostolou,Alexandros Priftis,Serko Haroutounian,Demetrios A. Spandidos,Aristidis Tsatsakis,Demetrios Kouretas +9 more
TL;DR: The results demonstrated for the first time that treatment with grape stem extracts at low concentrations improves the redox status of endothelial and muscle cells and suggested that trans-resveratrol, gallic acid, (+)-catechin, ferulic acid, caffeic Acid, quercetin, coumaric acid and kaempferol may be essential for the antioxidant activity of grape stem extract.
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Antioxidant and Potentially Anti-Inflammatory Activity of Anthocyanin Fractions from Pomace Obtained from Enzymatically Treated Raspberries.
TL;DR: Raspberry pomace was obtained from raspberries subjected to enzymatic maceration using three commercial pectinolytic preparations and potential anti-inflammatory properties were identified as the ability to inhibit the activity of lipoxygenase and cyclooxygenases 2.
References
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The Chemistry behind Antioxidant Capacity Assays
TL;DR: This analysis suggests that the total phenols assay by FCR be used to quantify an antioxidant's reducing capacity and the ORAC assay to quantify peroxyl radical scavenging capacity, to comprehensively study different aspects of antioxidants.
Book
Handbook of Molecular Descriptors
TL;DR: This Users guide notations acronyms list of molecular descriptors contains abbreviations for molecular descriptor values that are useful for counting and topological descriptors calculation.